1-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C17H25BrN3O2+ MolecularWeight: 383.3033

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)NC(=O)C[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)Br)NC(=O)C[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C17H24BrN3O2/c1-2-15(12-3-5-14(18)6-4-12)20-16(22)11-21-9-7-13(8-10-21)17(19)23/h3-6,13,15H,2,7-11H2,1H3,(H2,19,23)(H,20,22)/p+1/t15-/m1/s1