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

Systemtic Name: 1-(4-methoxyphenyl)-4-[(3S)-1-[(2-methyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-3-yl]piperazin-4-ium Openeye Name: 1-(4-methoxyphenyl)-4-[(3S)-1-[(2-methyl-1H-imidazol-3-ium-5-yl)methyl]-3-piperidyl]piperazin-4-ium CAS Name: 1-(4-methoxyphenyl)-4-[(3S)-1-[(2-methyl-1H-imidazol-3-ium-5-yl)methyl]-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-(4-methoxyphenyl)-4-[(3S)-1-[(2-methyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-3-yl]piperazin-4-ium Traditional Name: 1-(4-methoxyphenyl)-4-[(3S)-1-[(2-methyl-1H-imidazol-3-ium-5-yl)methyl]-3-piperidyl]piperazin-4-ium Formula: C21H33N5O+2 MolecularWeight: 371.51962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=C(N1)CN2CCCC(C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=[NH+]C=C(N1)CN2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H31N5O/c1-17-22-14-18(23-17)15-24-9-3-4-20(16-24)26-12-10-25(11-13-26)19-5-7-21(27-2)8-6-19/h5-8,14,20H,3-4,9-13,15-16H2,1-2H3,(H,22,23)/p+2/t20-/m0/s1