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

Systemtic Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-m-anisylpiperidin-1-ium-3-yl]-[[1-(2-pyridyl)pyrrol-2-yl]methyl]amine Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCCC(C2)NCC3=CC=CN3C4=CC=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC[C@@H](C2)NCC3=CC=CN3C4=CC=CC=N4

InChI

InChI=1S/C23H28N4O/c1-28-22-10-4-7-19(15-22)17-26-13-5-8-20(18-26)25-16-21-9-6-14-27(21)23-11-2-3-12-24-23/h2-4,6-7,9-12,14-15,20,25H,5,8,13,16-18H2,1H3/p+1/t20-/m0/s1