N-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]-2-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide

Systemtic Name: N-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]-2-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Openeye Name: N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]-2-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide CAS Name: N-[(4-chloro-1-methyl-3-pyrazolyl)methyl]-2-phenyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-2-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Traditional Name: N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]-2-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Formula: C24H28ClN4O+ MolecularWeight: 423.95832

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)CN(CC[NH+]2CCCC2)C(=O)C3=CC=CC=C3C4=CC=CC=C4)Cl

Isomeric SMILES

CN1C=C(C(=N1)CN(CC[NH+]2CCCC2)C(=O)C3=CC=CC=C3C4=CC=CC=C4)Cl

InChI

InChI=1S/C24H27ClN4O/c1-27-17-22(25)23(26-27)18-29(16-15-28-13-7-8-14-28)24(30)21-12-6-5-11-20(21)19-9-3-2-4-10-19/h2-6,9-12,17H,7-8,13-16,18H2,1H3/p+1