(3S)-N-methyl-1-phenethyl-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-methyl-1-phenethyl-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-methyl-1-phenethyl-N-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-methyl-1-phenethyl-N-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-methyl-1-phenethyl-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Traditional Name: methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-[[1-(2-pyridyl)pyrrol-2-yl]methyl]amine Formula: C24H31N4+ MolecularWeight: 375.52974

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CN1C2=CC=CC=N2)C3CCC[NH+](C3)CCC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=CN1C2=CC=CC=N2)[C@H]3CCC[NH+](C3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H30N4/c1-26(19-23-12-8-17-28(23)24-13-5-6-15-25-24)22-11-7-16-27(20-22)18-14-21-9-3-2-4-10-21/h2-6,8-10,12-13,15,17,22H,7,11,14,16,18-20H2,1H3/p+1/t22-/m0/s1