(3-methoxyphenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-methoxyphenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (3-methoxyphenyl)-[(3S)-1-(6-quinolylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (3-methoxyphenyl)-[(3S)-1-(6-quinolinylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (3-methoxyphenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (3-methoxyphenyl)-[(3S)-1-(6-quinolylmethyl)piperidin-1-ium-3-yl]methanone Formula: C23H25N2O2+ MolecularWeight: 361.4568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)CC3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C23H24N2O2/c1-27-21-8-2-5-19(14-21)23(26)20-7-4-12-25(16-20)15-17-9-10-22-18(13-17)6-3-11-24-22/h2-3,5-6,8-11,13-14,20H,4,7,12,15-16H2,1H3/p+1/t20-/m0/s1