(2-methoxyphenyl)-[(3S)-1-(quinolin-4-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (2-methoxyphenyl)-[(3S)-1-(quinolin-4-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (2-methoxyphenyl)-[(3S)-1-(4-quinolylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (2-methoxyphenyl)-[(3S)-1-(4-quinolinylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (2-methoxyphenyl)-[(3S)-1-(quinolin-4-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (2-methoxyphenyl)-[(3S)-1-(4-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=C1C(=O)C2CCC[NH+](C2)CC3=CC=NC4=CC=CC=C34

Isomeric SMILES

COC1=CC=CC=C1C(=O)[C@H]2CCC[NH+](C2)CC3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C23H24N2O2/c1-27-22-11-5-3-9-20(22)23(26)18-7-6-14-25(16-18)15-17-12-13-24-21-10-4-2-8-19(17)21/h2-5,8-13,18H,6-7,14-16H2,1H3/p+1/t18-/m0/s1