N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-pyrazol-1-yl-benzamide

Systemtic Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-pyrazol-1-yl-benzamide Openeye Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-pyrazol-1-yl-benzamide CAS Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-3-(1-pyrazolyl)benzamide IUPAC Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-pyrazol-1-ylbenzamide Traditional Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-pyrazol-1-yl-benzamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C25H30N4O/c1-27(25(30)22-12-5-13-23(19-22)29-18-8-15-26-29)24-14-7-17-28(20-24)16-6-11-21-9-3-2-4-10-21/h2-5,8-10,12-13,15,18-19,24H,6-7,11,14,16-17,20H2,1H3/p+1/t24-/m0/s1