1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-methyl-but-2-en-1-one

Systemtic Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-methyl-but-2-en-1-one Openeye Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-3-methyl-but-2-en-1-one CAS Name: 1-[(3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-methyl-2-buten-1-one IUPAC Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-methylbut-2-en-1-one Traditional Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-3-methyl-but-2-en-1-one Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O2/c1-17(2)15-21(25)24-10-4-5-19(16-24)23-13-11-22(12-14-23)18-6-8-20(26-3)9-7-18/h6-9,15,19H,4-5,10-14,16H2,1-3H3/p+1/t19-/m0/s1