N-[(7-methoxy-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[(7-methoxy-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[(7-methoxy-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]-4-pyrazol-1-yl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide CAS Name: N-[[7-methoxy-2-(1-pyrrolidinyl)-3-quinolin-1-iumyl]methyl]-N-[[(2R)-2-oxolanyl]methyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-1-ium-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[(7-methoxy-2-pyrrolidino-quinolin-1-ium-3-yl)methyl]-4-pyrazol-1-yl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide Formula: C30H34N5O3+ MolecularWeight: 512.62266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CC3CCCO3)C(=O)C4=CC=C(C=C4)N5C=CC=N5)N6CCCC6

Isomeric SMILES

COC1=CC2=[NH+]C(=C(C=C2C=C1)CN(C[C@H]3CCCO3)C(=O)C4=CC=C(C=C4)N5C=CC=N5)N6CCCC6

InChI

InChI=1S/C30H33N5O3/c1-37-26-12-9-23-18-24(29(32-28(23)19-26)33-14-2-3-15-33)20-34(21-27-6-4-17-38-27)30(36)22-7-10-25(11-8-22)35-16-5-13-31-35/h5,7-13,16,18-19,27H,2-4,6,14-15,17,20-21H2,1H3/p+1/t27-/m1/s1