N-[4-[[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(3-oxo-3-pyrrolidin-1-yl-propyl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[3-oxo-3-(1-pyrrolidinyl)propyl]-1-piperidin-1-iumyl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(3-keto-3-pyrrolidino-propyl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC(CC2)CCC(=O)N3CCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC(CC2)CCC(=O)N3CCCC3

InChI

InChI=1S/C21H31N3O2/c1-17(25)22-20-7-4-19(5-8-20)16-23-14-10-18(11-15-23)6-9-21(26)24-12-2-3-13-24/h4-5,7-8,18H,2-3,6,9-16H2,1H3,(H,22,25)/p+1