[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(1-methylindol-3-yl)methanone

Systemtic Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(1-methylindol-3-yl)methanone Openeye Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-(1-methylindol-3-yl)methanone CAS Name: [(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-(1-methyl-3-indolyl)methanone IUPAC Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(1-methylindol-3-yl)methanone Traditional Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-(1-methylindol-3-yl)methanone Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)N3CCCC(C3)[NH+]4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)N3CCC[C@@H](C3)[NH+]4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C26H32N4O2/c1-27-19-22(21-9-3-4-10-23(21)27)26(31)30-13-7-8-20(18-30)28-14-16-29(17-15-28)24-11-5-6-12-25(24)32-2/h3-6,9-12,19-20H,7-8,13-18H2,1-2H3/p+1/t20-/m0/s1