1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]pentane-1,4-dione

Systemtic Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]pentane-1,4-dione Openeye Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]pentane-1,4-dione CAS Name: 1-[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]pentane-1,4-dione IUPAC Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]pentane-1,4-dione Traditional Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]pentane-1,4-dione Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)N1CCCC(C1)[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC(=O)CCC(=O)N1CCC[C@@H](C1)[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C21H31N3O3/c1-17(25)9-10-21(26)24-11-5-6-18(16-24)22-12-14-23(15-13-22)19-7-3-4-8-20(19)27-2/h3-4,7-8,18H,5-6,9-16H2,1-2H3/p+1/t18-/m0/s1