[(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]-[6-[furan-2-ylmethyl(methyl)amino]pyridin-3-yl]methanone

Systemtic Name: [(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]-[6-[furan-2-ylmethyl(methyl)amino]pyridin-3-yl]methanone Openeye Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[2-furylmethyl(methyl)amino]-3-pyridyl]methanone CAS Name: [(3S)-3-ethyl-4-propan-2-yl-1-piperazin-4-iumyl]-[6-[2-furanylmethyl(methyl)amino]-3-pyridinyl]methanone IUPAC Name: [(3S)-3-ethyl-4-propan-2-ylpiperazin-4-ium-1-yl]-[6-[furan-2-ylmethyl(methyl)amino]pyridin-3-yl]methanone Traditional Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[2-furfuryl(methyl)amino]-3-pyridyl]methanone Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC[NH+]1C(C)C)C(=O)C2=CN=C(C=C2)N(C)CC3=CC=CO3

Isomeric SMILES

CC[C@H]1CN(CC[NH+]1C(C)C)C(=O)C2=CN=C(C=C2)N(C)CC3=CC=CO3

InChI

InChI=1S/C21H30N4O2/c1-5-18-14-24(10-11-25(18)16(2)3)21(26)17-8-9-20(22-13-17)23(4)15-19-7-6-12-27-19/h6-9,12-13,16,18H,5,10-11,14-15H2,1-4H3/p+1/t18-/m0/s1