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

Systemtic Name: 3-methoxy-1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]propan-1-one Openeye Name: 3-methoxy-1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]propan-1-one CAS Name: 3-methoxy-1-[(3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-1-propanone IUPAC Name: 3-methoxy-1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]propan-1-one Traditional Name: 3-methoxy-1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]propan-1-one Formula: C20H32N3O3+ MolecularWeight: 362.48638

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Descriptors Computed from Structure

Canonical SMILES:

COCCC(=O)N1CCCC(C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

COCCC(=O)N1CCC[C@@H](C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H31N3O3/c1-25-15-9-20(24)23-10-3-4-18(16-23)22-13-11-21(12-14-22)17-5-7-19(26-2)8-6-17/h5-8,18H,3-4,9-16H2,1-2H3/p+1/t18-/m0/s1