1H-imidazol-5-yl-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone

Systemtic Name: 1H-imidazol-5-yl-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Openeye Name: 1H-imidazol-5-yl-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]methanone CAS Name: 1H-imidazol-5-yl-[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methanone IUPAC Name: 1H-imidazol-5-yl-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Traditional Name: 1H-imidazol-5-yl-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]methanone Formula: C20H28N5O2+ MolecularWeight: 370.46862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4=CN=CN4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4=CN=CN4

InChI

InChI=1S/C20H27N5O2/c1-27-19-7-3-2-6-18(19)24-11-9-23(10-12-24)16-5-4-8-25(14-16)20(26)17-13-21-15-22-17/h2-3,6-7,13,15-16H,4-5,8-12,14H2,1H3,(H,21,22)/p+1/t16-/m0/s1