1-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one Openeye Name: 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one CAS Name: 1-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-3-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one Traditional Name: 1-(4-m-anisoylpiperazino)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCC(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCC(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H31N3O3/c1-17-5-4-9-22(16-17)10-8-20(25)23-11-13-24(14-12-23)21(26)18-6-3-7-19(15-18)27-2/h3,6-7,15,17H,4-5,8-14,16H2,1-2H3/p+1/t17-/m0/s1