N-[(2R)-1-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propan-2-yl]pyridin-1-ium-2-amine

Systemtic Name: N-[(2R)-1-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propan-2-yl]pyridin-1-ium-2-amine Openeye Name: N-[(1R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-1-methyl-ethyl]pyridin-1-ium-2-amine CAS Name: N-[(2R)-1-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propan-2-yl]-2-pyridin-1-iumamine IUPAC Name: N-[(2R)-1-(4-benzylpiperazine-1,4-diium-1-yl)propan-2-yl]pyridin-1-ium-2-amine Traditional Name: [(1R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-1-methyl-ethyl]-pyridin-1-ium-2-yl-amine Formula: C19H29N4+3 MolecularWeight: 313.46036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CC[NH+](CC1)CC2=CC=CC=C2)NC3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](C[NH+]1CC[NH+](CC1)CC2=CC=CC=C2)NC3=CC=CC=[NH+]3

InChI

InChI=1S/C19H26N4/c1-17(21-19-9-5-6-10-20-19)15-22-11-13-23(14-12-22)16-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,20,21)/p+3/t17-/m1/s1