(6,7-dimethoxy-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: (6,7-dimethoxy-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(6,7-dimethoxy-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl]-[[(2S)-5-oxopyrrolidin-2-yl]methyl]ammonium CAS Name: [6,7-dimethoxy-4-(1-pyrrolidinyl)-2-quinazolinyl]methyl-[[(2S)-5-oxo-2-pyrrolidinyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(6,7-dimethoxy-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-[[(2S)-5-oxopyrrolidin-2-yl]methyl]azanium Traditional Name: benzyl-[(6,7-dimethoxy-4-pyrrolidino-quinazolin-2-yl)methyl]-[[(2S)-5-ketopyrrolidin-2-yl]methyl]ammonium Formula: C27H34N5O3+ MolecularWeight: 476.59056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C[NH+](CC3CCC(=O)N3)CC4=CC=CC=C4)N5CCCC5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C[NH+](C[C@@H]3CCC(=O)N3)CC4=CC=CC=C4)N5CCCC5)OC

InChI

InChI=1S/C27H33N5O3/c1-34-23-14-21-22(15-24(23)35-2)29-25(30-27(21)32-12-6-7-13-32)18-31(16-19-8-4-3-5-9-19)17-20-10-11-26(33)28-20/h3-5,8-9,14-15,20H,6-7,10-13,16-18H2,1-2H3,(H,28,33)/p+1/t20-/m0/s1