diethyl-[3-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-oxidanylidene-propyl]azanium

Systemtic Name: diethyl-[3-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-oxidanylidene-propyl]azanium Openeye Name: diethyl-[3-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-3-oxo-propyl]ammonium CAS Name: diethyl-[3-[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-oxopropyl]ammonium IUPAC Name: diethyl-[3-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-oxopropyl]azanium Traditional Name: diethyl-[3-keto-3-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]propyl]ammonium Formula: C23H40N4O2+2 MolecularWeight: 404.5893

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38N4O2/c1-4-24(5-2)14-12-23(28)27-13-8-9-20(19-27)25-15-17-26(18-16-25)21-10-6-7-11-22(21)29-3/h6-7,10-11,20H,4-5,8-9,12-19H2,1-3H3/p+2/t20-/m0/s1