N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-methyl-4-(1-pyrrolidinyl)phenyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-methyl-4-pyrrolidino-phenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C22H30N5O+ MolecularWeight: 380.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H29N5O/c1-18-16-19(26-10-4-5-11-26)7-8-20(18)24-22(28)17-25-12-14-27(15-13-25)21-6-2-3-9-23-21/h2-3,6-9,16H,4-5,10-15,17H2,1H3,(H,24,28)/p+1