4-(benzo[g]quinolin-4-ylamino)-N-[(3R)-1-ethylpiperidin-1-ium-3-yl]benzamide

Systemtic Name: 4-(benzo[g]quinolin-4-ylamino)-N-[(3R)-1-ethylpiperidin-1-ium-3-yl]benzamide Openeye Name: 4-(benzo[g]quinolin-4-ylamino)-N-[(3R)-1-ethylpiperidin-1-ium-3-yl]benzamide CAS Name: 4-(4-benzo[g]quinolinylamino)-N-[(3R)-1-ethyl-3-piperidin-1-iumyl]benzamide IUPAC Name: 4-(benzo[g]quinolin-4-ylamino)-N-[(3R)-1-ethylpiperidin-1-ium-3-yl]benzamide Traditional Name: 4-(benzo[g]quinolin-4-ylamino)-N-[(3R)-1-ethylpiperidin-1-ium-3-yl]benzamide Formula: C27H29N4O+ MolecularWeight: 425.54536

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC(C1)NC(=O)C2=CC=C(C=C2)NC3=CC=NC4=CC5=CC=CC=C5C=C34

Isomeric SMILES

CC[NH+]1CCC[C@H](C1)NC(=O)C2=CC=C(C=C2)NC3=CC=NC4=CC5=CC=CC=C5C=C34

InChI

InChI=1S/C27H28N4O/c1-2-31-15-5-8-23(18-31)30-27(32)19-9-11-22(12-10-19)29-25-13-14-28-26-17-21-7-4-3-6-20(21)16-24(25)26/h3-4,6-7,9-14,16-17,23H,2,5,8,15,18H2,1H3,(H,28,29)(H,30,32)/p+1/t23-/m1/s1