10-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-oxidanylidene-ethyl]acridin-9-one

Systemtic Name: 10-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-oxidanylidene-ethyl]acridin-9-one Openeye Name: 10-[2-oxo-2-[4-(p-tolylmethyl)-1,4-diazepan-4-ium-1-yl]ethyl]acridin-9-one CAS Name: 10-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-oxoethyl]-9-acridinone IUPAC Name: 10-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-oxoethyl]acridin-9-one Traditional Name: 10-[2-keto-2-[4-(4-methylbenzyl)-1,4-diazepan-4-ium-1-yl]ethyl]acridin-9-one Formula: C28H30N3O2+ MolecularWeight: 440.5567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)CN3C4=CC=CC=C4C(=O)C5=CC=CC=C53

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)CN3C4=CC=CC=C4C(=O)C5=CC=CC=C53

InChI

InChI=1S/C28H29N3O2/c1-21-11-13-22(14-12-21)19-29-15-6-16-30(18-17-29)27(32)20-31-25-9-4-2-7-23(25)28(33)24-8-3-5-10-26(24)31/h2-5,7-14H,6,15-20H2,1H3/p+1