2-azanyl-5-[[4-[2-(1-ethylpiperidin-1-ium-1-yl)ethylamino]phenyl]amino]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-azanyl-5-[[4-[2-(1-ethylpiperidin-1-ium-1-yl)ethylamino]phenyl]amino]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-amino-5-[4-[2-(1-ethylpiperidin-1-ium-1-yl)ethylamino]anilino]-1,4-benzoquinone CAS Name: 2-amino-5-[4-[2-(1-ethyl-1-piperidin-1-iumyl)ethylamino]anilino]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-amino-5-[4-[2-(1-ethylpiperidin-1-ium-1-yl)ethylamino]anilino]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-amino-5-[4-[2-(1-ethylpiperidin-1-ium-1-yl)ethylamino]anilino]-p-benzoquinone Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1)CCNC2=CC=C(C=C2)NC3=CC(=O)C(=CC3=O)N

Isomeric SMILES

CC[N+]1(CCCCC1)CCNC2=CC=C(C=C2)NC3=CC(=O)C(=CC3=O)N

InChI

InChI=1S/C21H28N4O2/c1-2-25(11-4-3-5-12-25)13-10-23-16-6-8-17(9-7-16)24-19-15-20(26)18(22)14-21(19)27/h6-9,14-15H,2-5,10-13H2,1H3,(H3-,22,23,24,26,27)/p+1