1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-3-yl]piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-3-yl]piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-3-piperidyl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-3-piperidinyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-3-yl]piperazin-1-ium Traditional Name: 1-[(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-3-piperidyl]-4-piperonyl-piperazin-4-ium Formula: C23H35N5O2+2 MolecularWeight: 413.5563

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC=C1)CN2CCCC(C2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC[N+]1=C(NC=C1)CN2CCC[C@@H](C2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H33N5O2/c1-2-27-9-7-24-23(27)17-26-8-3-4-20(16-26)28-12-10-25(11-13-28)15-19-5-6-21-22(14-19)30-18-29-21/h5-7,9,14,20H,2-4,8,10-13,15-18H2,1H3/p+2/t20-/m0/s1