methyl-(naphthalen-1-ylmethyl)-[(5S)-1-prop-2-enyl-3-pyrrolidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: methyl-(naphthalen-1-ylmethyl)-[(5S)-1-prop-2-enyl-3-pyrrolidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: [(5S)-1-allyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-(1-naphthylmethyl)ammonium CAS Name: methyl-(1-naphthalenylmethyl)-[(5S)-3-[oxo(1-pyrrolidinyl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: methyl-(naphthalen-1-ylmethyl)-[(5S)-1-prop-2-enyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5S)-1-allyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-(1-naphthylmethyl)ammonium Formula: C27H33N4O+ MolecularWeight: 429.57712

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC2=CC=CC=C21)C3CCC4=C(C3)C(=NN4CC=C)C(=O)N5CCCC5

Isomeric SMILES

C[NH+](CC1=CC=CC2=CC=CC=C21)[C@H]3CCC4=C(C3)C(=NN4CC=C)C(=O)N5CCCC5

InChI

InChI=1S/C27H32N4O/c1-3-15-31-25-14-13-22(18-24(25)26(28-31)27(32)30-16-6-7-17-30)29(2)19-21-11-8-10-20-9-4-5-12-23(20)21/h3-5,8-12,22H,1,6-7,13-19H2,2H3/p+1/t22-/m0/s1