1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-5-phenyl-pentan-1-one

Systemtic Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-5-phenyl-pentan-1-one Openeye Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-5-phenyl-pentan-1-one CAS Name: 1-[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-5-phenyl-1-pentanone IUPAC Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-5-phenylpentan-1-one Traditional Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-5-phenyl-pentan-1-one Formula: C27H38N3O2+ MolecularWeight: 436.60952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)CCCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)CCCCC4=CC=CC=C4

InChI

InChI=1S/C27H37N3O2/c1-32-26-15-7-6-14-25(26)29-20-18-28(19-21-29)24-13-9-17-30(22-24)27(31)16-8-5-12-23-10-3-2-4-11-23/h2-4,6-7,10-11,14-15,24H,5,8-9,12-13,16-22H2,1H3/p+1/t24-/m0/s1