1-methyl-4-(1-phenethylpiperidin-1-ium-4-yl)-1,4-diazepan-1-ium

Systemtic Name: 1-methyl-4-(1-phenethylpiperidin-1-ium-4-yl)-1,4-diazepan-1-ium Openeye Name: 1-methyl-4-(1-phenethylpiperidin-1-ium-4-yl)-1,4-diazepan-1-ium CAS Name: 1-methyl-4-(1-phenethyl-4-piperidin-1-iumyl)-1,4-diazepan-1-ium IUPAC Name: 1-methyl-4-(1-phenethylpiperidin-1-ium-4-yl)-1,4-diazepan-1-ium Traditional Name: 1-methyl-4-(1-phenethylpiperidin-1-ium-4-yl)-1,4-diazepan-1-ium Formula: C19H33N3+2 MolecularWeight: 303.48542

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCCN(CC1)C2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C19H31N3/c1-20-11-5-12-22(17-16-20)19-9-14-21(15-10-19)13-8-18-6-3-2-4-7-18/h2-4,6-7,19H,5,8-17H2,1H3/p+2