methyl-[(3S)-1-[2-(1-methylpyrrol-3-yl)ethanoyl]piperidin-3-yl]-(phenylmethyl)azanium

Systemtic Name: methyl-[(3S)-1-[2-(1-methylpyrrol-3-yl)ethanoyl]piperidin-3-yl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[(3S)-1-[2-(1-methylpyrrol-3-yl)acetyl]-3-piperidyl]ammonium CAS Name: methyl-[(3S)-1-[2-(1-methyl-3-pyrrolyl)-1-oxoethyl]-3-piperidinyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(3S)-1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-3-yl]azanium Traditional Name: benzyl-methyl-[(3S)-1-[2-(1-methylpyrrol-3-yl)acetyl]-3-piperidyl]ammonium Formula: C20H28N3O+ MolecularWeight: 326.45582

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)CC(=O)N2CCCC(C2)[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CN1C=CC(=C1)CC(=O)N2CCC[C@@H](C2)[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O/c1-21-12-10-18(14-21)13-20(24)23-11-6-9-19(16-23)22(2)15-17-7-4-3-5-8-17/h3-5,7-8,10,12,14,19H,6,9,11,13,15-16H2,1-2H3/p+1/t19-/m0/s1