(1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-phenyl-ethanamine

Systemtic Name: (1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-phenyl-ethanamine Openeye Name: (1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-phenyl-ethanamine CAS Name: (1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-phenylethanamine IUPAC Name: (1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-phenylethanamine Traditional Name: [(1S)-1-phenyl-2-(4-piperonylpiperazin-1-ium-1-yl)ethyl]amine Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(C2=CC=CC=C2)N)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](C2=CC=CC=C2)N)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H25N3O2/c21-18(17-4-2-1-3-5-17)14-23-10-8-22(9-11-23)13-16-6-7-19-20(12-16)25-15-24-19/h1-7,12,18H,8-11,13-15,21H2/p+1/t18-/m1/s1