1-[(3S)-3-[4-(hydroxymethyl)piperidin-1-ium-1-yl]piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one

Systemtic Name: 1-[(3S)-3-[4-(hydroxymethyl)piperidin-1-ium-1-yl]piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one Openeye Name: 1-[(3S)-3-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-1-piperidyl]-3-(3-methoxyphenyl)propan-1-one CAS Name: 1-[(3S)-3-[4-(hydroxymethyl)-1-piperidin-1-iumyl]-1-piperidinyl]-3-(3-methoxyphenyl)-1-propanone IUPAC Name: 1-[(3S)-3-[4-(hydroxymethyl)piperidin-1-ium-1-yl]piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one Traditional Name: 3-(3-methoxyphenyl)-1-[(3S)-3-(4-methylolpiperidin-1-ium-1-yl)piperidino]propan-1-one Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC(=O)N2CCCC(C2)[NH+]3CCC(CC3)CO

Isomeric SMILES

COC1=CC=CC(=C1)CCC(=O)N2CCC[C@@H](C2)[NH+]3CCC(CC3)CO

InChI

InChI=1S/C21H32N2O3/c1-26-20-6-2-4-17(14-20)7-8-21(25)23-11-3-5-19(15-23)22-12-9-18(16-24)10-13-22/h2,4,6,14,18-19,24H,3,5,7-13,15-16H2,1H3/p+1/t19-/m0/s1