4-[(phenylmethyl)amino]-3-(piperidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 4-[(phenylmethyl)amino]-3-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-(benzylamino)-3-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-[(phenylmethyl)amino]-3-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-(benzylamino)-3-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-(benzylamino)-3-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C22H25N2O2+ MolecularWeight: 349.4461

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C3=CC=CC=C3OC2=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C3=CC=CC=C3OC2=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H24N2O2/c25-22-19(16-24-13-7-2-8-14-24)21(18-11-5-6-12-20(18)26-22)23-15-17-9-3-1-4-10-17/h1,3-6,9-12,23H,2,7-8,13-16H2/p+1