1-[(3S)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-3-yl]-4-(3-chlorophenyl)piperazin-1-ium

Systemtic Name: 1-[(3S)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-3-yl]-4-(3-chlorophenyl)piperazin-1-ium Openeye Name: 1-[(3S)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-3-piperidyl]-4-(3-chlorophenyl)piperazin-1-ium CAS Name: 1-[(3S)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-3-piperidinyl]-4-(3-chlorophenyl)piperazin-1-ium IUPAC Name: 1-[(3S)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-3-yl]-4-(3-chlorophenyl)piperazin-1-ium Traditional Name: 1-[(3S)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-3-piperidyl]-4-(3-chlorophenyl)piperazin-1-ium Formula: C23H36ClN5+2 MolecularWeight: 418.01844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[NH+]C=C(N1)CN2CCCC(C2)[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCC1=[NH+]C=C(N1)CN2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H34ClN5/c1-2-3-9-23-25-16-20(26-23)17-27-10-5-8-22(18-27)29-13-11-28(12-14-29)21-7-4-6-19(24)15-21/h4,6-7,15-16,22H,2-3,5,8-14,17-18H2,1H3,(H,25,26)/p+2/t22-/m0/s1