4-[1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]carbonyl-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-[1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]carbonyl-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carbonyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[[1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumyl]-oxomethyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carbonyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carbonyl]-1,4-diazepane-1-carbaldehyde Formula: C25H40N4O2+2 MolecularWeight: 428.6107

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCCN(CC4)C=O

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCCN(CC4)C=O

InChI

InChI=1S/C25H38N4O2/c1-21-5-2-3-6-23(21)19-26-13-9-24(10-14-26)28-15-7-22(8-16-28)25(31)29-12-4-11-27(20-30)17-18-29/h2-3,5-6,20,22,24H,4,7-19H2,1H3/p+2