(3S)-1-[(3-methoxyphenyl)methyl]-N-(quinolin-5-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-(quinolin-5-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-(5-quinolylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-(5-quinolinylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-(quinolin-5-ylmethyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-m-anisylpiperidin-1-ium-3-yl]-(5-quinolylmethyl)amine Formula: C23H28N3O+ MolecularWeight: 362.48792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCCC(C2)NCC3=C4C=CC=NC4=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC[C@@H](C2)NCC3=C4C=CC=NC4=CC=C3

InChI

InChI=1S/C23H27N3O/c1-27-21-9-2-6-18(14-21)16-26-13-5-8-20(17-26)25-15-19-7-3-11-23-22(19)10-4-12-24-23/h2-4,6-7,9-12,14,20,25H,5,8,13,15-17H2,1H3/p+1/t20-/m0/s1