3-azanyl-4-[3-[3-[(1-methylpiperazin-1-ium-1-yl)methyl]phenoxy]propylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-azanyl-4-[3-[3-[(1-methylpiperazin-1-ium-1-yl)methyl]phenoxy]propylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[3-[3-[(1-methylpiperazin-1-ium-1-yl)methyl]phenoxy]propylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[3-[3-[(1-methyl-1-piperazin-1-iumyl)methyl]phenoxy]propylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[3-[3-[(1-methylpiperazin-1-ium-1-yl)methyl]phenoxy]propylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[3-[3-[(1-methylpiperazin-1-ium-1-yl)methyl]phenoxy]propylamino]cyclobut-3-ene-1,2-quinone Formula: C19H27N4O3+ MolecularWeight: 359.44268

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CC2=CC(=CC=C2)OCCCNC3=C(C(=O)C3=O)N

Isomeric SMILES

C[N+]1(CCNCC1)CC2=CC(=CC=C2)OCCCNC3=C(C(=O)C3=O)N

InChI

InChI=1S/C19H26N4O3/c1-23(9-7-21-8-10-23)13-14-4-2-5-15(12-14)26-11-3-6-22-17-16(20)18(24)19(17)25/h2,4-5,12,21H,3,6-11,13H2,1H3,(H2-,20,22,24,25)/p+1