1-[4-[(3S)-3-(3-methoxyphenyl)carbonylpiperidin-1-ium-1-yl]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[(3S)-3-(3-methoxyphenyl)carbonylpiperidin-1-ium-1-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[(3S)-3-(3-methoxybenzoyl)piperidin-1-ium-1-yl]-1-piperidyl]ethanone CAS Name: 1-[4-[(3S)-3-[(3-methoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[(3S)-3-(3-methoxybenzoyl)piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[(3S)-3-m-anisoylpiperidin-1-ium-1-yl]piperidino]ethanone Formula: C20H29N2O3+ MolecularWeight: 345.45586

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H28N2O3/c1-15(23)21-11-8-18(9-12-21)22-10-4-6-17(14-22)20(24)16-5-3-7-19(13-16)25-2/h3,5,7,13,17-18H,4,6,8-12,14H2,1-2H3/p+1/t17-/m0/s1