1-[(S)-(3-methylphenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-[(S)-(3-methylphenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Openeye Name: 1-[(S)-(1-methylpyrrol-2-yl)-(m-tolyl)methyl]piperazin-4-ium CAS Name: 1-[(S)-(3-methylphenyl)-(1-methyl-2-pyrrolyl)methyl]piperazin-4-ium IUPAC Name: 1-[(S)-(3-methylphenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Traditional Name: 1-[(S)-(1-methylpyrrol-2-yl)-(m-tolyl)methyl]piperazin-4-ium Formula: C17H24N3+ MolecularWeight: 270.39256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC=CN2C)N3CC[NH2+]CC3

Isomeric SMILES

CC1=CC(=CC=C1)[C@@H](C2=CC=CN2C)N3CC[NH2+]CC3

InChI

InChI=1S/C17H23N3/c1-14-5-3-6-15(13-14)17(16-7-4-10-19(16)2)20-11-8-18-9-12-20/h3-7,10,13,17-18H,8-9,11-12H2,1-2H3/p+1/t17-/m0/s1