1-[(R)-(1-methylpyrrol-2-yl)-phenyl-methyl]piperazin-4-ium

Systemtic Name: 1-[(R)-(1-methylpyrrol-2-yl)-phenyl-methyl]piperazin-4-ium Openeye Name: 1-[(R)-(1-methylpyrrol-2-yl)-phenyl-methyl]piperazin-4-ium CAS Name: 1-[(R)-(1-methyl-2-pyrrolyl)-phenylmethyl]piperazin-4-ium IUPAC Name: 1-[(R)-(1-methylpyrrol-2-yl)-phenylmethyl]piperazin-4-ium Traditional Name: 1-[(R)-(1-methylpyrrol-2-yl)-phenyl-methyl]piperazin-4-ium Formula: C16H22N3+ MolecularWeight: 256.36598

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(C2=CC=CC=C2)N3CC[NH2+]CC3

Isomeric SMILES

CN1C=CC=C1[C@@H](C2=CC=CC=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C16H21N3/c1-18-11-5-8-15(18)16(14-6-3-2-4-7-14)19-12-9-17-10-13-19/h2-8,11,16-17H,9-10,12-13H2,1H3/p+1/t16-/m1/s1