2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]phenyl]pyrrolidin-1-ium 1-oxide

Systemtic Name: 2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]phenyl]pyrrolidin-1-ium 1-oxide Openeye Name: 2-[4-[2-[4-(m-tolyl)piperazin-1-yl]ethyl]phenyl]pyrrolidin-1-ium 1-oxide CAS Name: 2-[4-[2-[4-(3-methylphenyl)-1-piperazinyl]ethyl]phenyl]pyrrolidin-1-ium 1-oxide IUPAC Name: 2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]phenyl]pyrrolidin-1-ium 1-oxide Traditional Name: 2-[4-[2-[4-(m-tolyl)piperazino]ethyl]phenyl]pyrrolidin-1-ium 1-oxide Formula: C23H30N3O+ MolecularWeight: 364.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCC3=CC=C(C=C3)C4CCC[N+]4=O

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCC3=CC=C(C=C3)C4CCC[N+]4=O

InChI

InChI=1S/C23H30N3O/c1-19-4-2-5-22(18-19)25-16-14-24(15-17-25)13-11-20-7-9-21(10-8-20)23-6-3-12-26(23)27/h2,4-5,7-10,18,23H,3,6,11-17H2,1H3/q+1