6-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonyl-2,2-dimethyl-3H-pyran-4-one

Systemtic Name: 6-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonyl-2,2-dimethyl-3H-pyran-4-one Openeye Name: 6-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one CAS Name: 6-[[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-oxomethyl]-2,2-dimethyl-3H-pyran-4-one IUPAC Name: 6-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one Traditional Name: 6-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one Formula: C24H34N3O4+ MolecularWeight: 428.54446

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C=C(O1)C(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC)C

Isomeric SMILES

CC1(CC(=O)C=C(O1)C(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC)C

InChI

InChI=1S/C24H33N3O4/c1-24(2)16-19(28)15-22(31-24)23(29)27-10-6-7-18(17-27)25-11-13-26(14-12-25)20-8-4-5-9-21(20)30-3/h4-5,8-9,15,18H,6-7,10-14,16-17H2,1-3H3/p+1/t18-/m0/s1