N-[4-[(S)-(1-methylpyrrol-2-yl)-piperazin-4-ium-1-yl-methyl]phenyl]ethanamide

Systemtic Name: N-[4-[(S)-(1-methylpyrrol-2-yl)-piperazin-4-ium-1-yl-methyl]phenyl]ethanamide Openeye Name: N-[4-[(S)-(1-methylpyrrol-2-yl)-piperazin-4-ium-1-yl-methyl]phenyl]acetamide CAS Name: N-[4-[(S)-(1-methyl-2-pyrrolyl)-(1-piperazin-4-iumyl)methyl]phenyl]acetamide IUPAC Name: N-[4-[(S)-(1-methylpyrrol-2-yl)-piperazin-4-ium-1-ylmethyl]phenyl]acetamide Traditional Name: N-[4-[(S)-(1-methylpyrrol-2-yl)-piperazin-4-ium-1-yl-methyl]phenyl]acetamide Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(C2=CC=CN2C)N3CC[NH2+]CC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)[C@@H](C2=CC=CN2C)N3CC[NH2+]CC3

InChI

InChI=1S/C18H24N4O/c1-14(23)20-16-7-5-15(6-8-16)18(17-4-3-11-21(17)2)22-12-9-19-10-13-22/h3-8,11,18-19H,9-10,12-13H2,1-2H3,(H,20,23)/p+1/t18-/m0/s1