(3S)-N-(1H-imidazol-3-ium-2-ylmethyl)-N-methyl-1-phenethyl-piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(1H-imidazol-3-ium-2-ylmethyl)-N-methyl-1-phenethyl-piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1H-imidazol-3-ium-2-ylmethyl)-N-methyl-1-phenethyl-piperidin-1-ium-3-amine CAS Name: (3S)-N-(1H-imidazol-3-ium-2-ylmethyl)-N-methyl-1-phenethyl-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1H-imidazol-3-ium-2-ylmethyl)-N-methyl-1-phenethylpiperidin-1-ium-3-amine Traditional Name: 1H-imidazol-3-ium-2-ylmethyl-methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amine Formula: C18H28N4+2 MolecularWeight: 300.44172

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=[NH+]C=CN1)C2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

CN(CC1=[NH+]C=CN1)[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C18H26N4/c1-21(15-18-19-10-11-20-18)17-8-5-12-22(14-17)13-9-16-6-3-2-4-7-16/h2-4,6-7,10-11,17H,5,8-9,12-15H2,1H3,(H,19,20)/p+2/t17-/m0/s1